N-(3-ethynylphenyl)-2-methylsulfanyl-propanamide

Systemtic Name: N-(3-ethynylphenyl)-2-methylsulfanyl-propanamide Openeye Name: N-(3-ethynylphenyl)-2-methylsulfanyl-propanamide CAS Name: N-(3-ethynylphenyl)-2-(methylthio)propanamide IUPAC Name: N-(3-ethynylphenyl)-2-methylsulfanylpropanamide Traditional Name: N-(3-ethynylphenyl)-2-(methylthio)propionamide Formula: C12H13NOS MolecularWeight: 219.30272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#C)SC

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#C)SC

InChI

InChI=1S/C12H13NOS/c1-4-10-6-5-7-11(8-10)13-12(14)9(2)15-3/h1,5-9H,2-3H3,(H,13,14)